2-Butenoic acid, 4-hydroxy-, 4-fluorophenyl ester, (E)-

Base Information

Chemical Name:2-Butenoic acid, 4-hydroxy-, 4-fluorophenyl ester, (E)-
CAS No.:163457-40-7
Molecular Formula:C₁₀H₉FO₃
Molecular Weight:196.178
Hs Code.:
DSSTox Substance ID:DTXSID001204176

Synonyms:DTXSID001204176;2-Butenoic acid, 4-hydroxy-, 4-fluorophenyl ester, (E)-;163457-40-7

Suppliers and Price of 2-Butenoic acid, 4-hydroxy-, 4-fluorophenyl ester, (E)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 2-Butenoic acid, 4-hydroxy-, 4-fluorophenyl ester, (E)-

Chemical Property:

XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:196.05357231
Heavy Atom Count:14
Complexity:207

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=CC=C1OC(=O)C=CCO)F
Isomeric SMILES:C1=CC(=CC=C1OC(=O)/C=C/CO)F

Technology Process of 2-Butenoic acid, 4-hydroxy-, 4-fluorophenyl ester, (E)-

There total 2 articles about 2-Butenoic acid, 4-hydroxy-, 4-fluorophenyl ester, (E)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

: 173423-74-0
(E)-4-(tert-Butyl-dimethyl-silanyloxy)-but-2-enoic acid 4-fluoro-phenyl ester

: 163457-40-7
p-fluorophenyl (2E)-4-hydroxy-2-butenoate

Guidance literature:: With acetic acid; In tetrahydrofuran; for 10h; Ambient temperature;
DOI:10.1021/jo951653e

Reference yield:

: 371-41-5
4-Fluorophenol

: 163457-40-7
p-fluorophenyl (2E)-4-hydroxy-2-butenoate

Guidance literature:: Multi-step reaction with 2 steps

1: 4-(N,N-dimethylamino)pyridine, DCC / 1,2-dichloro-ethane / 14 h / Ambient temperature

2: 90 percent / aq. AcOH / tetrahydrofuran / 10 h / Ambient temperature

With dmap; acetic acid; dicyclohexyl-carbodiimide; In tetrahydrofuran; 1,2-dichloro-ethane;
DOI:10.1021/jo951653e